3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide

C18H22N2O3 — CID 113118081

IUPAC3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(C)c1)Cc1ccco1
InChIInChI=1S/C18H22N2O3/c1-13-6-7-16(11-14(13)2)19-18(22)8-9-20(15(3)21)12-17-5-4-10-23-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,22)
InChIKeyFZGZRYCZDIRUJX-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.27
Rot. Bonds6

About 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide

3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide (PubChem CID 113118081) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
PubChem CID113118081
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)c(C)c1)Cc1ccco1
InChIInChI=1S/C18H22N2O3/c1-13-6-7-16(11-14(13)2)19-18(22)8-9-20(15(3)21)12-17-5-4-10-23-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,22)
InChIKeyFZGZRYCZDIRUJX-UHFFFAOYSA-N
XLogP3.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(furan-2-ylmethyl)-2,5-dimethylfuran-3-carboxamide
CID 1030454
3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113118135
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942
3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113118157
3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113118133
methyl 3-[3-[acetyl(furan-2-ylmethyl)amino]propanoylamino]-4-chlorobenzoate
CID 113118132
2-[acetyl(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113161076
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113053917
3-[acetyl(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113117997

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide (CID 113118081) is 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)c(C)c1)Cc1ccco1.
What is the InChIKey of 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is FZGZRYCZDIRUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-6-7-16(11-14(13)2)19-18(22)8-9-20(15(3)21)12-17-5-4-10-23-17/h4-7,10-11H,8-9,12H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide?
3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113118081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).